CID 199332

4035-65-8

Structural Information

Molecular Formula
C22H27N
SMILES
CCN(CC)CCC1=CC2CCC1C3=C2C4=CC=CC=C4C=C3
InChI
InChI=1S/C22H27N/c1-3-23(4-2)14-13-17-15-18-10-11-19(17)21-12-9-16-7-5-6-8-20(16)22(18)21/h5-9,12,15,18-19H,3-4,10-11,13-14H2,1-2H3
InChIKey
OABJJTMABXRNJE-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(13-tetracyclo[10.2.2.02,11.03,8]hexadeca-2(11),3,5,7,9,13-hexaenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.21436 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.22164 172.9
[M+Na]+ 328.20358 175.7
[M-H]- 304.20708 173.6
[M+NH4]+ 323.24818 193.2
[M+K]+ 344.17752 170.6
[M+H-H2O]+ 288.21162 163.9
[M+HCOO]- 350.21256 184.8
[M+CH3COO]- 364.22821 181.3
[M+Na-2H]- 326.18903 181.4
[M]+ 305.21381 176.0
[M]- 305.21491 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.